DSpace Repository

MD study of energetics, melting and isomerization of aluminum microclusters

Show simple item record

dc.contributor.author Böyükata, Mustafa
dc.contributor.author Güvenç, Ziya B.
dc.date.accessioned 2016-03-31T07:28:53Z
dc.date.available 2016-03-31T07:28:53Z
dc.date.issued 2006-09
dc.identifier.citation Böyükata, M., Güvenç Z.B. (2006). MD study of energetics, melting and isomerization of aluminum microclusters. Brazilian Journal of Physics , 36(3A), 720-724. tr_TR
dc.identifier.issn 0103-9733
dc.identifier.uri http://hdl.handle.net/20.500.12416/784
dc.description.abstract Voter and Chen version of an Embedded Atom Model has been applied to study the locally stable structures, energies, melting, isomerization and growth patterns of small aluminum clusters, Al(n), in the size range of n = 2 - 13. Using molecular dynamics and thermal quenching simulations, the global minima and the other locally stable structures have been distinguished from those stationary structures that correspond to saddle points of the potential energy surface. A large number (10000) of independent initial configurations generated at high temperatures has been used to obtain the stable isomers, and the probabilities of sampling different basins of attractions, for each size of the clusters. Their energy spectra have been determined and melting, and isomerization dynamics are investigated. tr_TR
dc.language.iso eng tr_TR
dc.publisher Springer tr_TR
dc.rights info:eu-repo/semantics/closedAccess tr_TR
dc.subject Aluminum tr_TR
dc.subject Cluster tr_TR
dc.subject Molecular Dynamics tr_TR
dc.title MD study of energetics, melting and isomerization of aluminum microclusters tr_TR
dc.type article tr_TR
dc.relation.journal Brazilian Journal of Physics tr_TR
dc.contributor.authorID 120207 tr_TR
dc.identifier.volume 36 tr_TR
dc.identifier.issue 3A tr_TR
dc.identifier.startpage 720 tr_TR
dc.identifier.endpage 724 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği tr_TR


Files in this item

Files Size Format View

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record